[3-chloro-4-(4-methylpentoxy)phenyl]methanol

C13H19ClO2 — CID 83159020

IUPAC[3-chloro-4-(4-methylpentoxy)phenyl]methanol
SMILESCC(C)CCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-10(2)4-3-7-16-13-6-5-11(9-15)8-12(13)14/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyCBMJTQJMQWPLOU-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.65
Rot. Bonds6

About [3-chloro-4-(4-methylpentoxy)phenyl]methanol

[3-chloro-4-(4-methylpentoxy)phenyl]methanol (PubChem CID 83159020) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is [3-chloro-4-(4-methylpentoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(4-methylpentoxy)phenyl]methanol
PubChem CID83159020
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name[3-chloro-4-(4-methylpentoxy)phenyl]methanol
SMILESCC(C)CCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-10(2)4-3-7-16-13-6-5-11(9-15)8-12(13)14/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyCBMJTQJMQWPLOU-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173
[amino-[[3-chloro-4-(7-methyloctoxy)phenyl]methylazaniumylidene]methyl]-(diaminomethylidene)azanium
CID 7211016
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
3-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]propan-1-ol
CID 63056516
(3-chloro-4-pentan-2-yloxyphenyl)methanol
CID 107892219
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
1-butoxy-3-[2-chloro-4-(hydroxymethyl)phenoxy]propan-2-ol
CID 107263397
1-[[3-chloro-4-(5-methylhexoxy)phenyl]methyl]-3-phenylthiourea
CID 3754308
2-[3-bromo-4-(4-methylpentoxy)phenyl]ethanamine
CID 83162261

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-methylpentoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(4-methylpentoxy)phenyl]methanol (CID 83159020) is [3-chloro-4-(4-methylpentoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(4-methylpentoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(4-methylpentoxy)phenyl]methanol is CC(C)CCCOc1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-(4-methylpentoxy)phenyl]methanol?
The InChIKey is CBMJTQJMQWPLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-10(2)4-3-7-16-13-6-5-11(9-15)8-12(13)14/h5-6,8,10,15H,3-4,7,9H2,1-2H3.
What are the key properties of [3-chloro-4-(4-methylpentoxy)phenyl]methanol?
[3-chloro-4-(4-methylpentoxy)phenyl]methanol has a molecular weight of 242.75 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-methylpentoxy)phenyl]methanol is sourced from PubChem (CID 83159020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).